USER MOD reduce.3.24.130724 H: found=0, std=0, add=320, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 321 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 371 HIS HE2 : A 371 HIS NE2 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 375 HIS HE2 : A 375 HIS NE2 : A 200 ZNZN :(H bumps) USER MOD Single : A 340 SER OG : rot 180:sc= 0 USER MOD Single : A 341 SER OG : rot 180:sc= 0 USER MOD Single : A 343 SER OG : rot 180:sc= 0 USER MOD Single : A 344 SER OG : rot 180:sc= 0 USER MOD Single : A 346 THR OG1 : rot -16:sc= 0.164! USER MOD Single : A 349 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00835) USER MOD Single : A 354 THR OG1 : rot 180:sc= 0 USER MOD Single : A 363 SER OG : rot 180:sc= 0 USER MOD Single : A 365 SER OG : rot 180:sc= -0.0174 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 374 SER OG : rot 180:sc= 0 USER MOD Single : A 376 SER OG : rot 180:sc= 0 USER MOD Single : A 379 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 381 SER OG : rot 180:sc= 0 USER MOD Single : A 384 SER OG : rot 180:sc= 0 USER MOD Single : A 385 SER OG : rot 180:sc= -0.0217 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 339 29.382 10.028 13.612 1.00 0.00 N ATOM 2 CA GLY A 339 28.374 9.508 14.518 1.00 0.00 C ATOM 3 C GLY A 339 26.966 9.690 13.985 1.00 0.00 C ATOM 4 O GLY A 339 26.532 10.813 13.730 1.00 0.00 O ATOM 0 HA2 GLY A 339 28.559 8.448 14.693 1.00 0.00 H new ATOM 0 HA3 GLY A 339 28.462 10.010 15.482 1.00 0.00 H new ATOM 8 N SER A 340 26.252 8.582 13.815 1.00 0.00 N ATOM 9 CA SER A 340 24.887 8.624 13.304 1.00 0.00 C ATOM 10 C SER A 340 23.931 7.902 14.248 1.00 0.00 C ATOM 11 O SER A 340 24.305 6.930 14.904 1.00 0.00 O ATOM 12 CB SER A 340 24.821 7.991 11.912 1.00 0.00 C ATOM 13 OG SER A 340 25.249 8.905 10.916 1.00 0.00 O ATOM 0 H SER A 340 26.596 7.645 14.024 1.00 0.00 H new ATOM 0 HA SER A 340 24.583 9.669 13.236 1.00 0.00 H new ATOM 0 HB2 SER A 340 25.447 7.099 11.885 1.00 0.00 H new ATOM 0 HB3 SER A 340 23.800 7.671 11.702 1.00 0.00 H new ATOM 0 HG SER A 340 25.199 8.477 10.036 1.00 0.00 H new ATOM 19 N SER A 341 22.694 8.385 14.312 1.00 0.00 N ATOM 20 CA SER A 341 21.684 7.790 15.178 1.00 0.00 C ATOM 21 C SER A 341 20.532 7.218 14.357 1.00 0.00 C ATOM 22 O SER A 341 19.802 7.954 13.696 1.00 0.00 O ATOM 23 CB SER A 341 21.154 8.829 16.168 1.00 0.00 C ATOM 24 OG SER A 341 22.211 9.415 16.908 1.00 0.00 O ATOM 0 H SER A 341 22.368 9.188 13.774 1.00 0.00 H new ATOM 0 HA SER A 341 22.151 6.976 15.732 1.00 0.00 H new ATOM 0 HB2 SER A 341 20.610 9.605 15.629 1.00 0.00 H new ATOM 0 HB3 SER A 341 20.446 8.358 16.850 1.00 0.00 H new ATOM 0 HG SER A 341 21.846 10.077 17.532 1.00 0.00 H new ATOM 30 N GLY A 342 20.377 5.898 14.406 1.00 0.00 N ATOM 31 CA GLY A 342 19.313 5.249 13.662 1.00 0.00 C ATOM 32 C GLY A 342 19.790 4.691 12.336 1.00 0.00 C ATOM 33 O GLY A 342 19.722 5.369 11.310 1.00 0.00 O ATOM 0 H GLY A 342 20.969 5.267 14.947 1.00 0.00 H new ATOM 0 HA2 GLY A 342 18.894 4.442 14.263 1.00 0.00 H new ATOM 0 HA3 GLY A 342 18.510 5.964 13.484 1.00 0.00 H new ATOM 37 N SER A 343 20.274 3.454 12.355 1.00 0.00 N ATOM 38 CA SER A 343 20.769 2.807 11.146 1.00 0.00 C ATOM 39 C SER A 343 19.616 2.250 10.317 1.00 0.00 C ATOM 40 O SER A 343 18.604 1.806 10.860 1.00 0.00 O ATOM 41 CB SER A 343 21.743 1.683 11.505 1.00 0.00 C ATOM 42 OG SER A 343 22.774 2.155 12.355 1.00 0.00 O ATOM 0 H SER A 343 20.334 2.879 13.195 1.00 0.00 H new ATOM 0 HA SER A 343 21.293 3.556 10.552 1.00 0.00 H new ATOM 0 HB2 SER A 343 21.204 0.873 11.997 1.00 0.00 H new ATOM 0 HB3 SER A 343 22.178 1.270 10.595 1.00 0.00 H new ATOM 0 HG SER A 343 23.382 1.418 12.572 1.00 0.00 H new ATOM 48 N SER A 344 19.776 2.279 8.997 1.00 0.00 N ATOM 49 CA SER A 344 18.747 1.781 8.092 1.00 0.00 C ATOM 50 C SER A 344 18.812 0.261 7.978 1.00 0.00 C ATOM 51 O SER A 344 19.894 -0.322 7.909 1.00 0.00 O ATOM 52 CB SER A 344 18.906 2.414 6.708 1.00 0.00 C ATOM 53 OG SER A 344 18.222 3.653 6.632 1.00 0.00 O ATOM 0 H SER A 344 20.608 2.642 8.531 1.00 0.00 H new ATOM 0 HA SER A 344 17.775 2.056 8.501 1.00 0.00 H new ATOM 0 HB2 SER A 344 19.964 2.565 6.493 1.00 0.00 H new ATOM 0 HB3 SER A 344 18.520 1.735 5.948 1.00 0.00 H new ATOM 0 HG SER A 344 18.340 4.038 5.739 1.00 0.00 H new ATOM 59 N GLY A 345 17.645 -0.376 7.960 1.00 0.00 N ATOM 60 CA GLY A 345 17.591 -1.822 7.855 1.00 0.00 C ATOM 61 C GLY A 345 17.193 -2.289 6.469 1.00 0.00 C ATOM 62 O GLY A 345 18.039 -2.424 5.584 1.00 0.00 O ATOM 0 H GLY A 345 16.736 0.084 8.016 1.00 0.00 H new ATOM 0 HA2 GLY A 345 18.566 -2.238 8.109 1.00 0.00 H new ATOM 0 HA3 GLY A 345 16.879 -2.210 8.584 1.00 0.00 H new ATOM 66 N THR A 346 15.901 -2.537 6.278 1.00 0.00 N ATOM 67 CA THR A 346 15.393 -2.993 4.990 1.00 0.00 C ATOM 68 C THR A 346 15.515 -1.903 3.933 1.00 0.00 C ATOM 69 O THR A 346 15.459 -2.177 2.735 1.00 0.00 O ATOM 70 CB THR A 346 13.920 -3.432 5.092 1.00 0.00 C ATOM 71 OG1 THR A 346 13.412 -3.746 3.790 1.00 0.00 O ATOM 72 CG2 THR A 346 13.072 -2.338 5.723 1.00 0.00 C ATOM 0 H THR A 346 15.187 -2.430 6.999 1.00 0.00 H new ATOM 0 HA THR A 346 16.000 -3.849 4.695 1.00 0.00 H new ATOM 0 HB THR A 346 13.870 -4.318 5.725 1.00 0.00 H new ATOM 0 HG1 THR A 346 14.007 -3.371 3.108 1.00 0.00 H new ATOM 0 HG21 THR A 346 12.036 -2.671 5.785 1.00 0.00 H new ATOM 0 HG22 THR A 346 13.444 -2.122 6.725 1.00 0.00 H new ATOM 0 HG23 THR A 346 13.128 -1.437 5.113 1.00 0.00 H new ATOM 80 N GLY A 347 15.683 -0.663 4.384 1.00 0.00 N ATOM 81 CA GLY A 347 15.811 0.451 3.463 1.00 0.00 C ATOM 82 C GLY A 347 14.635 1.405 3.539 1.00 0.00 C ATOM 83 O GLY A 347 14.328 1.936 4.605 1.00 0.00 O ATOM 0 H GLY A 347 15.733 -0.411 5.371 1.00 0.00 H new ATOM 0 HA2 GLY A 347 16.730 0.995 3.681 1.00 0.00 H new ATOM 0 HA3 GLY A 347 15.900 0.069 2.446 1.00 0.00 H new ATOM 87 N GLU A 348 13.978 1.623 2.405 1.00 0.00 N ATOM 88 CA GLU A 348 12.831 2.522 2.348 1.00 0.00 C ATOM 89 C GLU A 348 11.638 1.842 1.682 1.00 0.00 C ATOM 90 O GLU A 348 11.798 0.882 0.926 1.00 0.00 O ATOM 91 CB GLU A 348 13.193 3.800 1.588 1.00 0.00 C ATOM 92 CG GLU A 348 12.103 4.858 1.624 1.00 0.00 C ATOM 93 CD GLU A 348 12.550 6.176 1.021 1.00 0.00 C ATOM 94 OE1 GLU A 348 13.738 6.529 1.179 1.00 0.00 O ATOM 95 OE2 GLU A 348 11.712 6.854 0.390 1.00 0.00 O ATOM 0 H GLU A 348 14.220 1.190 1.514 1.00 0.00 H new ATOM 0 HA GLU A 348 12.555 2.781 3.370 1.00 0.00 H new ATOM 0 HB2 GLU A 348 14.107 4.217 2.010 1.00 0.00 H new ATOM 0 HB3 GLU A 348 13.408 3.547 0.550 1.00 0.00 H new ATOM 0 HG2 GLU A 348 11.229 4.493 1.084 1.00 0.00 H new ATOM 0 HG3 GLU A 348 11.794 5.021 2.656 1.00 0.00 H new ATOM 102 N LYS A 349 10.442 2.344 1.967 1.00 0.00 N ATOM 103 CA LYS A 349 9.221 1.787 1.397 1.00 0.00 C ATOM 104 C LYS A 349 8.679 2.686 0.290 1.00 0.00 C ATOM 105 O LYS A 349 7.928 3.630 0.537 1.00 0.00 O ATOM 106 CB LYS A 349 8.162 1.605 2.486 1.00 0.00 C ATOM 107 CG LYS A 349 8.648 0.799 3.678 1.00 0.00 C ATOM 108 CD LYS A 349 7.690 0.909 4.853 1.00 0.00 C ATOM 109 CE LYS A 349 8.248 0.226 6.092 1.00 0.00 C ATOM 110 NZ LYS A 349 8.318 -1.252 5.928 1.00 0.00 N ATOM 0 H LYS A 349 10.292 3.137 2.591 1.00 0.00 H new ATOM 0 HA LYS A 349 9.461 0.815 0.967 1.00 0.00 H new ATOM 0 HB2 LYS A 349 7.835 2.586 2.830 1.00 0.00 H new ATOM 0 HB3 LYS A 349 7.291 1.111 2.055 1.00 0.00 H new ATOM 0 HG2 LYS A 349 8.755 -0.247 3.392 1.00 0.00 H new ATOM 0 HG3 LYS A 349 9.635 1.150 3.978 1.00 0.00 H new ATOM 0 HD2 LYS A 349 7.498 1.960 5.071 1.00 0.00 H new ATOM 0 HD3 LYS A 349 6.733 0.459 4.588 1.00 0.00 H new ATOM 0 HE2 LYS A 349 9.244 0.615 6.303 1.00 0.00 H new ATOM 0 HE3 LYS A 349 7.623 0.467 6.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 8.655 -1.684 6.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 7.373 -1.621 5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 8.975 -1.485 5.156 1.00 0.00 H new ATOM 124 N PRO A 350 9.065 2.388 -0.959 1.00 0.00 N ATOM 125 CA PRO A 350 8.627 3.156 -2.128 1.00 0.00 C ATOM 126 C PRO A 350 7.147 2.954 -2.433 1.00 0.00 C ATOM 127 O PRO A 350 6.462 3.877 -2.875 1.00 0.00 O ATOM 128 CB PRO A 350 9.488 2.596 -3.263 1.00 0.00 C ATOM 129 CG PRO A 350 9.844 1.218 -2.824 1.00 0.00 C ATOM 130 CD PRO A 350 9.959 1.277 -1.326 1.00 0.00 C ATOM 0 HA PRO A 350 8.742 4.229 -1.977 1.00 0.00 H new ATOM 0 HB2 PRO A 350 8.940 2.582 -4.205 1.00 0.00 H new ATOM 0 HB3 PRO A 350 10.379 3.204 -3.421 1.00 0.00 H new ATOM 0 HG2 PRO A 350 9.081 0.502 -3.129 1.00 0.00 H new ATOM 0 HG3 PRO A 350 10.782 0.895 -3.275 1.00 0.00 H new ATOM 0 HD2 PRO A 350 9.648 0.341 -0.862 1.00 0.00 H new ATOM 0 HD3 PRO A 350 10.985 1.465 -1.009 1.00 0.00 H new ATOM 138 N PHE A 351 6.658 1.742 -2.193 1.00 0.00 N ATOM 139 CA PHE A 351 5.258 1.419 -2.443 1.00 0.00 C ATOM 140 C PHE A 351 4.347 2.161 -1.470 1.00 0.00 C ATOM 141 O PHE A 351 4.227 1.784 -0.304 1.00 0.00 O ATOM 142 CB PHE A 351 5.031 -0.089 -2.323 1.00 0.00 C ATOM 143 CG PHE A 351 5.788 -0.893 -3.342 1.00 0.00 C ATOM 144 CD1 PHE A 351 5.220 -1.190 -4.570 1.00 0.00 C ATOM 145 CD2 PHE A 351 7.067 -1.351 -3.071 1.00 0.00 C ATOM 146 CE1 PHE A 351 5.913 -1.928 -5.510 1.00 0.00 C ATOM 147 CE2 PHE A 351 7.766 -2.089 -4.007 1.00 0.00 C ATOM 148 CZ PHE A 351 7.188 -2.380 -5.228 1.00 0.00 C ATOM 0 H PHE A 351 7.210 0.967 -1.826 1.00 0.00 H new ATOM 0 HA PHE A 351 5.013 1.736 -3.457 1.00 0.00 H new ATOM 0 HB2 PHE A 351 5.324 -0.414 -1.325 1.00 0.00 H new ATOM 0 HB3 PHE A 351 3.966 -0.297 -2.426 1.00 0.00 H new ATOM 0 HD1 PHE A 351 4.223 -0.840 -4.795 1.00 0.00 H new ATOM 0 HD2 PHE A 351 7.523 -1.129 -2.117 1.00 0.00 H new ATOM 0 HE1 PHE A 351 5.459 -2.151 -6.464 1.00 0.00 H new ATOM 0 HE2 PHE A 351 8.763 -2.438 -3.784 1.00 0.00 H new ATOM 0 HZ PHE A 351 7.731 -2.959 -5.960 1.00 0.00 H new ATOM 158 N ALA A 352 3.706 3.219 -1.957 1.00 0.00 N ATOM 159 CA ALA A 352 2.805 4.013 -1.132 1.00 0.00 C ATOM 160 C ALA A 352 1.350 3.775 -1.523 1.00 0.00 C ATOM 161 O ALA A 352 0.992 3.852 -2.698 1.00 0.00 O ATOM 162 CB ALA A 352 3.149 5.491 -1.246 1.00 0.00 C ATOM 0 H ALA A 352 3.795 3.546 -2.919 1.00 0.00 H new ATOM 0 HA ALA A 352 2.931 3.701 -0.095 1.00 0.00 H new ATOM 0 HB1 ALA A 352 2.468 6.072 -0.624 1.00 0.00 H new ATOM 0 HB2 ALA A 352 4.174 5.653 -0.911 1.00 0.00 H new ATOM 0 HB3 ALA A 352 3.052 5.808 -2.284 1.00 0.00 H new ATOM 168 N CYS A 353 0.516 3.485 -0.530 1.00 0.00 N ATOM 169 CA CYS A 353 -0.900 3.235 -0.769 1.00 0.00 C ATOM 170 C CYS A 353 -1.497 4.309 -1.674 1.00 0.00 C ATOM 171 O CYS A 353 -1.100 5.473 -1.621 1.00 0.00 O ATOM 172 CB CYS A 353 -1.662 3.188 0.557 1.00 0.00 C ATOM 173 SG CYS A 353 -3.459 2.950 0.373 1.00 0.00 S ATOM 0 H CYS A 353 0.797 3.417 0.448 1.00 0.00 H new ATOM 0 HA CYS A 353 -0.994 2.271 -1.269 1.00 0.00 H new ATOM 0 HB2 CYS A 353 -1.260 2.379 1.167 1.00 0.00 H new ATOM 0 HB3 CYS A 353 -1.483 4.116 1.100 1.00 0.00 H new ATOM 178 N THR A 354 -2.454 3.909 -2.506 1.00 0.00 N ATOM 179 CA THR A 354 -3.106 4.835 -3.423 1.00 0.00 C ATOM 180 C THR A 354 -4.351 5.448 -2.793 1.00 0.00 C ATOM 181 O THR A 354 -4.701 6.594 -3.075 1.00 0.00 O ATOM 182 CB THR A 354 -3.500 4.138 -4.739 1.00 0.00 C ATOM 183 OG1 THR A 354 -2.349 3.532 -5.336 1.00 0.00 O ATOM 184 CG2 THR A 354 -4.120 5.131 -5.712 1.00 0.00 C ATOM 0 H THR A 354 -2.795 2.949 -2.563 1.00 0.00 H new ATOM 0 HA THR A 354 -2.386 5.624 -3.640 1.00 0.00 H new ATOM 0 HB THR A 354 -4.237 3.368 -4.511 1.00 0.00 H new ATOM 0 HG1 THR A 354 -2.608 3.090 -6.171 1.00 0.00 H new ATOM 0 HG21 THR A 354 -4.390 4.616 -6.634 1.00 0.00 H new ATOM 0 HG22 THR A 354 -5.013 5.569 -5.266 1.00 0.00 H new ATOM 0 HG23 THR A 354 -3.401 5.920 -5.934 1.00 0.00 H new ATOM 192 N TRP A 355 -5.016 4.679 -1.939 1.00 0.00 N ATOM 193 CA TRP A 355 -6.223 5.148 -1.268 1.00 0.00 C ATOM 194 C TRP A 355 -6.017 6.544 -0.690 1.00 0.00 C ATOM 195 O TRP A 355 -4.956 6.872 -0.159 1.00 0.00 O ATOM 196 CB TRP A 355 -6.624 4.177 -0.156 1.00 0.00 C ATOM 197 CG TRP A 355 -7.864 4.591 0.576 1.00 0.00 C ATOM 198 CD1 TRP A 355 -7.940 5.430 1.651 1.00 0.00 C ATOM 199 CD2 TRP A 355 -9.206 4.182 0.288 1.00 0.00 C ATOM 200 NE1 TRP A 355 -9.248 5.568 2.048 1.00 0.00 N ATOM 201 CE2 TRP A 355 -10.044 4.814 1.228 1.00 0.00 C ATOM 202 CE3 TRP A 355 -9.781 3.347 -0.673 1.00 0.00 C ATOM 203 CZ2 TRP A 355 -11.425 4.633 1.233 1.00 0.00 C ATOM 204 CZ3 TRP A 355 -11.151 3.169 -0.667 1.00 0.00 C ATOM 205 CH2 TRP A 355 -11.961 3.810 0.280 1.00 0.00 C ATOM 0 H TRP A 355 -4.740 3.728 -1.695 1.00 0.00 H new ATOM 0 HA TRP A 355 -7.024 5.195 -2.006 1.00 0.00 H new ATOM 0 HB2 TRP A 355 -6.778 3.187 -0.586 1.00 0.00 H new ATOM 0 HB3 TRP A 355 -5.802 4.091 0.555 1.00 0.00 H new ATOM 0 HD1 TRP A 355 -7.096 5.914 2.120 1.00 0.00 H new ATOM 0 HE1 TRP A 355 -9.573 6.140 2.828 1.00 0.00 H new ATOM 0 HE3 TRP A 355 -9.165 2.849 -1.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 355 -12.051 5.125 1.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 355 -11.606 2.525 -1.405 1.00 0.00 H new ATOM 0 HH2 TRP A 355 -13.029 3.651 0.257 1.00 0.00 H new ATOM 216 N PRO A 356 -7.055 7.388 -0.795 1.00 0.00 N ATOM 217 CA PRO A 356 -7.011 8.762 -0.287 1.00 0.00 C ATOM 218 C PRO A 356 -6.994 8.817 1.236 1.00 0.00 C ATOM 219 O PRO A 356 -7.696 8.058 1.903 1.00 0.00 O ATOM 220 CB PRO A 356 -8.301 9.382 -0.830 1.00 0.00 C ATOM 221 CG PRO A 356 -9.222 8.227 -1.029 1.00 0.00 C ATOM 222 CD PRO A 356 -8.350 7.065 -1.416 1.00 0.00 C ATOM 0 HA PRO A 356 -6.106 9.283 -0.600 1.00 0.00 H new ATOM 0 HB2 PRO A 356 -8.718 10.105 -0.129 1.00 0.00 H new ATOM 0 HB3 PRO A 356 -8.122 9.912 -1.766 1.00 0.00 H new ATOM 0 HG2 PRO A 356 -9.779 8.010 -0.118 1.00 0.00 H new ATOM 0 HG3 PRO A 356 -9.955 8.441 -1.807 1.00 0.00 H new ATOM 0 HD2 PRO A 356 -8.750 6.122 -1.044 1.00 0.00 H new ATOM 0 HD3 PRO A 356 -8.264 6.970 -2.498 1.00 0.00 H new ATOM 230 N GLY A 357 -6.187 9.722 1.782 1.00 0.00 N ATOM 231 CA GLY A 357 -6.093 9.859 3.224 1.00 0.00 C ATOM 232 C GLY A 357 -5.132 8.863 3.841 1.00 0.00 C ATOM 233 O GLY A 357 -4.366 9.204 4.742 1.00 0.00 O ATOM 0 H GLY A 357 -5.597 10.363 1.251 1.00 0.00 H new ATOM 0 HA2 GLY A 357 -5.769 10.871 3.469 1.00 0.00 H new ATOM 0 HA3 GLY A 357 -7.081 9.725 3.663 1.00 0.00 H new ATOM 237 N CYS A 358 -5.171 7.627 3.355 1.00 0.00 N ATOM 238 CA CYS A 358 -4.299 6.576 3.865 1.00 0.00 C ATOM 239 C CYS A 358 -2.832 6.934 3.646 1.00 0.00 C ATOM 240 O CYS A 358 -2.487 7.632 2.694 1.00 0.00 O ATOM 241 CB CYS A 358 -4.617 5.244 3.183 1.00 0.00 C ATOM 242 SG CYS A 358 -3.759 3.812 3.911 1.00 0.00 S ATOM 0 H CYS A 358 -5.798 7.329 2.608 1.00 0.00 H new ATOM 0 HA CYS A 358 -4.476 6.479 4.936 1.00 0.00 H new ATOM 0 HB2 CYS A 358 -5.692 5.072 3.230 1.00 0.00 H new ATOM 0 HB3 CYS A 358 -4.351 5.316 2.128 1.00 0.00 H new ATOM 247 N GLY A 359 -1.971 6.449 4.536 1.00 0.00 N ATOM 248 CA GLY A 359 -0.551 6.727 4.423 1.00 0.00 C ATOM 249 C GLY A 359 0.305 5.521 4.754 1.00 0.00 C ATOM 250 O GLY A 359 1.290 5.632 5.483 1.00 0.00 O ATOM 0 H GLY A 359 -2.232 5.869 5.333 1.00 0.00 H new ATOM 0 HA2 GLY A 359 -0.329 7.059 3.409 1.00 0.00 H new ATOM 0 HA3 GLY A 359 -0.291 7.548 5.091 1.00 0.00 H new ATOM 254 N TRP A 360 -0.073 4.365 4.219 1.00 0.00 N ATOM 255 CA TRP A 360 0.667 3.132 4.464 1.00 0.00 C ATOM 256 C TRP A 360 1.626 2.836 3.316 1.00 0.00 C ATOM 257 O TRP A 360 1.240 2.873 2.148 1.00 0.00 O ATOM 258 CB TRP A 360 -0.300 1.962 4.652 1.00 0.00 C ATOM 259 CG TRP A 360 -0.756 1.791 6.069 1.00 0.00 C ATOM 260 CD1 TRP A 360 -1.791 2.439 6.681 1.00 0.00 C ATOM 261 CD2 TRP A 360 -0.192 0.915 7.051 1.00 0.00 C ATOM 262 NE1 TRP A 360 -1.903 2.020 7.985 1.00 0.00 N ATOM 263 CE2 TRP A 360 -0.935 1.084 8.236 1.00 0.00 C ATOM 264 CE3 TRP A 360 0.867 0.003 7.045 1.00 0.00 C ATOM 265 CZ2 TRP A 360 -0.651 0.375 9.400 1.00 0.00 C ATOM 266 CZ3 TRP A 360 1.148 -0.699 8.201 1.00 0.00 C ATOM 267 CH2 TRP A 360 0.392 -0.511 9.365 1.00 0.00 C ATOM 0 H TRP A 360 -0.887 4.256 3.614 1.00 0.00 H new ATOM 0 HA TRP A 360 1.250 3.262 5.376 1.00 0.00 H new ATOM 0 HB2 TRP A 360 -1.170 2.113 4.013 1.00 0.00 H new ATOM 0 HB3 TRP A 360 0.183 1.043 4.320 1.00 0.00 H new ATOM 0 HD1 TRP A 360 -2.428 3.173 6.209 1.00 0.00 H new ATOM 0 HE1 TRP A 360 -2.595 2.352 8.657 1.00 0.00 H new ATOM 0 HE3 TRP A 360 1.455 -0.150 6.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 360 -1.233 0.519 10.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 360 1.965 -1.405 8.207 1.00 0.00 H new ATOM 0 HH2 TRP A 360 0.637 -1.076 10.252 1.00 0.00 H new ATOM 278 N ARG A 361 2.877 2.542 3.656 1.00 0.00 N ATOM 279 CA ARG A 361 3.891 2.240 2.653 1.00 0.00 C ATOM 280 C ARG A 361 4.480 0.851 2.877 1.00 0.00 C ATOM 281 O ARG A 361 4.296 0.250 3.935 1.00 0.00 O ATOM 282 CB ARG A 361 5.003 3.290 2.690 1.00 0.00 C ATOM 283 CG ARG A 361 4.526 4.695 2.362 1.00 0.00 C ATOM 284 CD ARG A 361 5.684 5.598 1.965 1.00 0.00 C ATOM 285 NE ARG A 361 5.334 7.012 2.062 1.00 0.00 N ATOM 286 CZ ARG A 361 6.216 7.998 1.942 1.00 0.00 C ATOM 287 NH1 ARG A 361 7.494 7.724 1.721 1.00 0.00 N ATOM 288 NH2 ARG A 361 5.820 9.260 2.043 1.00 0.00 N ATOM 0 H ARG A 361 3.212 2.507 4.619 1.00 0.00 H new ATOM 0 HA ARG A 361 3.415 2.260 1.673 1.00 0.00 H new ATOM 0 HB2 ARG A 361 5.456 3.292 3.681 1.00 0.00 H new ATOM 0 HB3 ARG A 361 5.783 3.006 1.983 1.00 0.00 H new ATOM 0 HG2 ARG A 361 3.800 4.654 1.550 1.00 0.00 H new ATOM 0 HG3 ARG A 361 4.013 5.117 3.226 1.00 0.00 H new ATOM 0 HD2 ARG A 361 6.541 5.392 2.607 1.00 0.00 H new ATOM 0 HD3 ARG A 361 5.988 5.369 0.944 1.00 0.00 H new ATOM 0 HE ARG A 361 4.358 7.256 2.231 1.00 0.00 H new ATOM 0 HH11 ARG A 361 7.802 6.755 1.643 1.00 0.00 H new ATOM 0 HH12 ARG A 361 8.170 8.483 1.629 1.00 0.00 H new ATOM 0 HH21 ARG A 361 4.837 9.474 2.213 1.00 0.00 H new ATOM 0 HH22 ARG A 361 6.498 10.016 1.951 1.00 0.00 H new ATOM 302 N PHE A 362 5.189 0.346 1.872 1.00 0.00 N ATOM 303 CA PHE A 362 5.804 -0.974 1.958 1.00 0.00 C ATOM 304 C PHE A 362 7.066 -1.042 1.103 1.00 0.00 C ATOM 305 O PHE A 362 7.226 -0.278 0.151 1.00 0.00 O ATOM 306 CB PHE A 362 4.813 -2.051 1.512 1.00 0.00 C ATOM 307 CG PHE A 362 3.457 -1.917 2.144 1.00 0.00 C ATOM 308 CD1 PHE A 362 2.545 -0.988 1.668 1.00 0.00 C ATOM 309 CD2 PHE A 362 3.093 -2.720 3.213 1.00 0.00 C ATOM 310 CE1 PHE A 362 1.297 -0.862 2.248 1.00 0.00 C ATOM 311 CE2 PHE A 362 1.846 -2.599 3.797 1.00 0.00 C ATOM 312 CZ PHE A 362 0.947 -1.669 3.313 1.00 0.00 C ATOM 0 H PHE A 362 5.352 0.831 0.989 1.00 0.00 H new ATOM 0 HA PHE A 362 6.080 -1.152 2.997 1.00 0.00 H new ATOM 0 HB2 PHE A 362 4.706 -2.008 0.428 1.00 0.00 H new ATOM 0 HB3 PHE A 362 5.222 -3.032 1.753 1.00 0.00 H new ATOM 0 HD1 PHE A 362 2.813 -0.356 0.835 1.00 0.00 H new ATOM 0 HD2 PHE A 362 3.792 -3.449 3.595 1.00 0.00 H new ATOM 0 HE1 PHE A 362 0.596 -0.133 1.869 1.00 0.00 H new ATOM 0 HE2 PHE A 362 1.575 -3.231 4.630 1.00 0.00 H new ATOM 0 HZ PHE A 362 -0.028 -1.573 3.767 1.00 0.00 H new ATOM 322 N SER A 363 7.959 -1.963 1.450 1.00 0.00 N ATOM 323 CA SER A 363 9.209 -2.129 0.718 1.00 0.00 C ATOM 324 C SER A 363 8.983 -2.909 -0.574 1.00 0.00 C ATOM 325 O SER A 363 9.596 -2.619 -1.601 1.00 0.00 O ATOM 326 CB SER A 363 10.242 -2.850 1.588 1.00 0.00 C ATOM 327 OG SER A 363 11.360 -3.257 0.819 1.00 0.00 O ATOM 0 H SER A 363 7.840 -2.606 2.233 1.00 0.00 H new ATOM 0 HA SER A 363 9.586 -1.139 0.463 1.00 0.00 H new ATOM 0 HB2 SER A 363 10.570 -2.190 2.391 1.00 0.00 H new ATOM 0 HB3 SER A 363 9.783 -3.720 2.057 1.00 0.00 H new ATOM 0 HG SER A 363 12.006 -3.714 1.397 1.00 0.00 H new ATOM 333 N ARG A 364 8.098 -3.899 -0.513 1.00 0.00 N ATOM 334 CA ARG A 364 7.791 -4.721 -1.676 1.00 0.00 C ATOM 335 C ARG A 364 6.412 -4.380 -2.235 1.00 0.00 C ATOM 336 O ARG A 364 5.584 -3.784 -1.547 1.00 0.00 O ATOM 337 CB ARG A 364 7.852 -6.205 -1.309 1.00 0.00 C ATOM 338 CG ARG A 364 9.237 -6.674 -0.896 1.00 0.00 C ATOM 339 CD ARG A 364 9.169 -7.944 -0.062 1.00 0.00 C ATOM 340 NE ARG A 364 10.474 -8.312 0.481 1.00 0.00 N ATOM 341 CZ ARG A 364 10.669 -9.350 1.287 1.00 0.00 C ATOM 342 NH1 ARG A 364 9.648 -10.118 1.642 1.00 0.00 N ATOM 343 NH2 ARG A 364 11.886 -9.621 1.740 1.00 0.00 N ATOM 0 H ARG A 364 7.581 -4.151 0.330 1.00 0.00 H new ATOM 0 HA ARG A 364 8.536 -4.513 -2.443 1.00 0.00 H new ATOM 0 HB2 ARG A 364 7.154 -6.398 -0.494 1.00 0.00 H new ATOM 0 HB3 ARG A 364 7.517 -6.795 -2.162 1.00 0.00 H new ATOM 0 HG2 ARG A 364 9.842 -6.853 -1.785 1.00 0.00 H new ATOM 0 HG3 ARG A 364 9.733 -5.889 -0.326 1.00 0.00 H new ATOM 0 HD2 ARG A 364 8.462 -7.803 0.756 1.00 0.00 H new ATOM 0 HD3 ARG A 364 8.788 -8.761 -0.675 1.00 0.00 H new ATOM 0 HE ARG A 364 11.280 -7.741 0.227 1.00 0.00 H new ATOM 0 HH11 ARG A 364 8.711 -9.912 1.296 1.00 0.00 H new ATOM 0 HH12 ARG A 364 9.800 -10.914 2.261 1.00 0.00 H new ATOM 0 HH21 ARG A 364 12.674 -9.032 1.470 1.00 0.00 H new ATOM 0 HH22 ARG A 364 12.034 -10.418 2.359 1.00 0.00 H new ATOM 357 N SER A 365 6.175 -4.763 -3.485 1.00 0.00 N ATOM 358 CA SER A 365 4.898 -4.494 -4.137 1.00 0.00 C ATOM 359 C SER A 365 3.793 -5.366 -3.549 1.00 0.00 C ATOM 360 O SER A 365 2.658 -4.921 -3.384 1.00 0.00 O ATOM 361 CB SER A 365 5.010 -4.738 -5.643 1.00 0.00 C ATOM 362 OG SER A 365 5.060 -6.125 -5.933 1.00 0.00 O ATOM 0 H SER A 365 6.849 -5.260 -4.067 1.00 0.00 H new ATOM 0 HA SER A 365 4.642 -3.449 -3.963 1.00 0.00 H new ATOM 0 HB2 SER A 365 4.158 -4.287 -6.152 1.00 0.00 H new ATOM 0 HB3 SER A 365 5.906 -4.250 -6.028 1.00 0.00 H new ATOM 0 HG SER A 365 5.130 -6.254 -6.902 1.00 0.00 H new ATOM 368 N ASP A 366 4.135 -6.611 -3.236 1.00 0.00 N ATOM 369 CA ASP A 366 3.174 -7.547 -2.665 1.00 0.00 C ATOM 370 C ASP A 366 2.670 -7.052 -1.313 1.00 0.00 C ATOM 371 O ASP A 366 1.471 -7.081 -1.038 1.00 0.00 O ATOM 372 CB ASP A 366 3.806 -8.931 -2.513 1.00 0.00 C ATOM 373 CG ASP A 366 2.859 -9.935 -1.885 1.00 0.00 C ATOM 374 OD1 ASP A 366 2.351 -9.659 -0.777 1.00 0.00 O ATOM 375 OD2 ASP A 366 2.625 -10.995 -2.501 1.00 0.00 O ATOM 0 H ASP A 366 5.071 -6.995 -3.368 1.00 0.00 H new ATOM 0 HA ASP A 366 2.325 -7.617 -3.345 1.00 0.00 H new ATOM 0 HB2 ASP A 366 4.118 -9.294 -3.492 1.00 0.00 H new ATOM 0 HB3 ASP A 366 4.704 -8.852 -1.901 1.00 0.00 H new ATOM 380 N GLU A 367 3.595 -6.600 -0.472 1.00 0.00 N ATOM 381 CA GLU A 367 3.245 -6.101 0.852 1.00 0.00 C ATOM 382 C GLU A 367 2.208 -4.985 0.756 1.00 0.00 C ATOM 383 O GLU A 367 1.341 -4.851 1.622 1.00 0.00 O ATOM 384 CB GLU A 367 4.492 -5.592 1.577 1.00 0.00 C ATOM 385 CG GLU A 367 5.456 -6.696 1.978 1.00 0.00 C ATOM 386 CD GLU A 367 6.241 -6.359 3.231 1.00 0.00 C ATOM 387 OE1 GLU A 367 5.659 -5.745 4.149 1.00 0.00 O ATOM 388 OE2 GLU A 367 7.439 -6.709 3.292 1.00 0.00 O ATOM 0 H GLU A 367 4.592 -6.569 -0.684 1.00 0.00 H new ATOM 0 HA GLU A 367 2.815 -6.926 1.420 1.00 0.00 H new ATOM 0 HB2 GLU A 367 5.012 -4.883 0.933 1.00 0.00 H new ATOM 0 HB3 GLU A 367 4.186 -5.047 2.470 1.00 0.00 H new ATOM 0 HG2 GLU A 367 4.899 -7.619 2.140 1.00 0.00 H new ATOM 0 HG3 GLU A 367 6.150 -6.883 1.158 1.00 0.00 H new ATOM 395 N LEU A 368 2.304 -4.187 -0.301 1.00 0.00 N ATOM 396 CA LEU A 368 1.375 -3.081 -0.511 1.00 0.00 C ATOM 397 C LEU A 368 0.053 -3.582 -1.083 1.00 0.00 C ATOM 398 O LEU A 368 -1.020 -3.155 -0.657 1.00 0.00 O ATOM 399 CB LEU A 368 1.991 -2.045 -1.452 1.00 0.00 C ATOM 400 CG LEU A 368 1.008 -1.103 -2.148 1.00 0.00 C ATOM 401 CD1 LEU A 368 0.517 -0.034 -1.183 1.00 0.00 C ATOM 402 CD2 LEU A 368 1.654 -0.465 -3.370 1.00 0.00 C ATOM 0 H LEU A 368 3.015 -4.284 -1.026 1.00 0.00 H new ATOM 0 HA LEU A 368 1.178 -2.615 0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 368 2.700 -1.443 -0.883 1.00 0.00 H new ATOM 0 HB3 LEU A 368 2.562 -2.572 -2.217 1.00 0.00 H new ATOM 0 HG LEU A 368 0.149 -1.686 -2.479 1.00 0.00 H new ATOM 0 HD11 LEU A 368 -0.181 0.627 -1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 368 0.015 -0.508 -0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 368 1.365 0.546 -0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 368 0.940 0.202 -3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 368 2.531 0.104 -3.062 1.00 0.00 H new ATOM 0 HD23 LEU A 368 1.954 -1.244 -4.071 1.00 0.00 H new ATOM 414 N SER A 369 0.138 -4.493 -2.047 1.00 0.00 N ATOM 415 CA SER A 369 -1.052 -5.051 -2.679 1.00 0.00 C ATOM 416 C SER A 369 -1.957 -5.711 -1.643 1.00 0.00 C ATOM 417 O SER A 369 -3.174 -5.521 -1.654 1.00 0.00 O ATOM 418 CB SER A 369 -0.657 -6.069 -3.750 1.00 0.00 C ATOM 419 OG SER A 369 -1.781 -6.467 -4.515 1.00 0.00 O ATOM 0 H SER A 369 1.019 -4.860 -2.408 1.00 0.00 H new ATOM 0 HA SER A 369 -1.601 -4.235 -3.149 1.00 0.00 H new ATOM 0 HB2 SER A 369 0.099 -5.637 -4.406 1.00 0.00 H new ATOM 0 HB3 SER A 369 -0.207 -6.942 -3.278 1.00 0.00 H new ATOM 0 HG SER A 369 -1.502 -7.117 -5.193 1.00 0.00 H new ATOM 425 N ARG A 370 -1.355 -6.488 -0.749 1.00 0.00 N ATOM 426 CA ARG A 370 -2.105 -7.178 0.294 1.00 0.00 C ATOM 427 C ARG A 370 -2.809 -6.179 1.208 1.00 0.00 C ATOM 428 O ARG A 370 -3.872 -6.467 1.759 1.00 0.00 O ATOM 429 CB ARG A 370 -1.175 -8.071 1.116 1.00 0.00 C ATOM 430 CG ARG A 370 -0.111 -7.301 1.881 1.00 0.00 C ATOM 431 CD ARG A 370 0.318 -8.042 3.137 1.00 0.00 C ATOM 432 NE ARG A 370 1.291 -7.282 3.917 1.00 0.00 N ATOM 433 CZ ARG A 370 0.981 -6.205 4.631 1.00 0.00 C ATOM 434 NH1 ARG A 370 -0.269 -5.766 4.664 1.00 0.00 N ATOM 435 NH2 ARG A 370 1.922 -5.567 5.314 1.00 0.00 N ATOM 0 H ARG A 370 -0.349 -6.656 -0.726 1.00 0.00 H new ATOM 0 HA ARG A 370 -2.860 -7.799 -0.187 1.00 0.00 H new ATOM 0 HB2 ARG A 370 -1.771 -8.650 1.822 1.00 0.00 H new ATOM 0 HB3 ARG A 370 -0.688 -8.784 0.451 1.00 0.00 H new ATOM 0 HG2 ARG A 370 0.755 -7.139 1.239 1.00 0.00 H new ATOM 0 HG3 ARG A 370 -0.496 -6.317 2.151 1.00 0.00 H new ATOM 0 HD2 ARG A 370 -0.558 -8.249 3.752 1.00 0.00 H new ATOM 0 HD3 ARG A 370 0.748 -9.005 2.861 1.00 0.00 H new ATOM 0 HE ARG A 370 2.262 -7.595 3.914 1.00 0.00 H new ATOM 0 HH11 ARG A 370 -0.995 -6.255 4.141 1.00 0.00 H new ATOM 0 HH12 ARG A 370 -0.505 -4.939 5.213 1.00 0.00 H new ATOM 0 HH21 ARG A 370 2.885 -5.903 5.292 1.00 0.00 H new ATOM 0 HH22 ARG A 370 1.683 -4.740 5.862 1.00 0.00 H new ATOM 449 N HIS A 371 -2.208 -5.004 1.366 1.00 0.00 N ATOM 450 CA HIS A 371 -2.777 -3.962 2.214 1.00 0.00 C ATOM 451 C HIS A 371 -3.976 -3.305 1.537 1.00 0.00 C ATOM 452 O HIS A 371 -4.972 -2.988 2.188 1.00 0.00 O ATOM 453 CB HIS A 371 -1.719 -2.907 2.541 1.00 0.00 C ATOM 454 CG HIS A 371 -2.296 -1.578 2.918 1.00 0.00 C ATOM 455 ND1 HIS A 371 -2.902 -1.337 4.133 1.00 0.00 N ATOM 456 CD2 HIS A 371 -2.356 -0.412 2.232 1.00 0.00 C ATOM 457 CE1 HIS A 371 -3.311 -0.082 4.178 1.00 0.00 C ATOM 458 NE2 HIS A 371 -2.991 0.502 3.037 1.00 0.00 N ATOM 0 H HIS A 371 -1.328 -4.749 0.918 1.00 0.00 H new ATOM 0 HA HIS A 371 -3.115 -4.426 3.141 1.00 0.00 H new ATOM 0 HB2 HIS A 371 -1.097 -3.269 3.360 1.00 0.00 H new ATOM 0 HB3 HIS A 371 -1.066 -2.779 1.677 1.00 0.00 H new ATOM 0 HD1 HIS A 371 -3.017 -2.021 4.881 1.00 0.00 H new ATOM 0 HD2 HIS A 371 -1.975 -0.234 1.237 1.00 0.00 H new ATOM 0 HE1 HIS A 371 -3.820 0.387 5.007 1.00 0.00 H new ATOM 466 N ARG A 372 -3.872 -3.103 0.228 1.00 0.00 N ATOM 467 CA ARG A 372 -4.947 -2.481 -0.536 1.00 0.00 C ATOM 468 C ARG A 372 -6.278 -3.177 -0.267 1.00 0.00 C ATOM 469 O ARG A 372 -7.344 -2.579 -0.416 1.00 0.00 O ATOM 470 CB ARG A 372 -4.630 -2.526 -2.032 1.00 0.00 C ATOM 471 CG ARG A 372 -3.378 -1.754 -2.413 1.00 0.00 C ATOM 472 CD ARG A 372 -3.653 -0.262 -2.516 1.00 0.00 C ATOM 473 NE ARG A 372 -4.176 0.109 -3.828 1.00 0.00 N ATOM 474 CZ ARG A 372 -3.433 0.155 -4.928 1.00 0.00 C ATOM 475 NH1 ARG A 372 -2.143 -0.147 -4.875 1.00 0.00 N ATOM 476 NH2 ARG A 372 -3.981 0.501 -6.086 1.00 0.00 N ATOM 0 H ARG A 372 -3.055 -3.361 -0.326 1.00 0.00 H new ATOM 0 HA ARG A 372 -5.029 -1.441 -0.220 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -4.513 -3.565 -2.339 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -5.478 -2.123 -2.587 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -2.600 -1.931 -1.670 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -2.999 -2.122 -3.366 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -4.367 0.029 -1.746 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -2.733 0.290 -2.323 1.00 0.00 H new ATOM 0 HE ARG A 372 -5.165 0.346 -3.904 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -1.718 -0.416 -3.987 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -1.575 -0.111 -5.722 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -4.973 0.732 -6.132 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -3.410 0.536 -6.930 1.00 0.00 H new ATOM 490 N ARG A 373 -6.208 -4.443 0.131 1.00 0.00 N ATOM 491 CA ARG A 373 -7.408 -5.220 0.420 1.00 0.00 C ATOM 492 C ARG A 373 -8.248 -4.543 1.498 1.00 0.00 C ATOM 493 O ARG A 373 -9.475 -4.504 1.410 1.00 0.00 O ATOM 494 CB ARG A 373 -7.030 -6.634 0.865 1.00 0.00 C ATOM 495 CG ARG A 373 -6.303 -7.435 -0.202 1.00 0.00 C ATOM 496 CD ARG A 373 -6.563 -8.926 -0.054 1.00 0.00 C ATOM 497 NE ARG A 373 -6.318 -9.651 -1.297 1.00 0.00 N ATOM 498 CZ ARG A 373 -5.107 -10.004 -1.716 1.00 0.00 C ATOM 499 NH1 ARG A 373 -4.038 -9.701 -0.994 1.00 0.00 N ATOM 500 NH2 ARG A 373 -4.965 -10.662 -2.859 1.00 0.00 N ATOM 0 H ARG A 373 -5.334 -4.952 0.261 1.00 0.00 H new ATOM 0 HA ARG A 373 -8.001 -5.280 -0.493 1.00 0.00 H new ATOM 0 HB2 ARG A 373 -6.399 -6.570 1.752 1.00 0.00 H new ATOM 0 HB3 ARG A 373 -7.935 -7.168 1.155 1.00 0.00 H new ATOM 0 HG2 ARG A 373 -6.626 -7.105 -1.189 1.00 0.00 H new ATOM 0 HG3 ARG A 373 -5.232 -7.243 -0.136 1.00 0.00 H new ATOM 0 HD2 ARG A 373 -5.925 -9.329 0.732 1.00 0.00 H new ATOM 0 HD3 ARG A 373 -7.595 -9.084 0.261 1.00 0.00 H new ATOM 0 HE ARG A 373 -7.120 -9.900 -1.876 1.00 0.00 H new ATOM 0 HH11 ARG A 373 -4.143 -9.196 -0.114 1.00 0.00 H new ATOM 0 HH12 ARG A 373 -3.110 -9.973 -1.318 1.00 0.00 H new ATOM 0 HH21 ARG A 373 -5.786 -10.897 -3.417 1.00 0.00 H new ATOM 0 HH22 ARG A 373 -4.035 -10.932 -3.180 1.00 0.00 H new ATOM 514 N SER A 374 -7.578 -4.010 2.515 1.00 0.00 N ATOM 515 CA SER A 374 -8.263 -3.338 3.613 1.00 0.00 C ATOM 516 C SER A 374 -9.254 -2.306 3.085 1.00 0.00 C ATOM 517 O SER A 374 -10.284 -2.042 3.706 1.00 0.00 O ATOM 518 CB SER A 374 -7.249 -2.662 4.538 1.00 0.00 C ATOM 519 OG SER A 374 -6.482 -3.622 5.243 1.00 0.00 O ATOM 0 H SER A 374 -6.562 -4.031 2.601 1.00 0.00 H new ATOM 0 HA SER A 374 -8.815 -4.089 4.178 1.00 0.00 H new ATOM 0 HB2 SER A 374 -6.588 -2.023 3.953 1.00 0.00 H new ATOM 0 HB3 SER A 374 -7.771 -2.018 5.246 1.00 0.00 H new ATOM 0 HG SER A 374 -5.841 -3.164 5.826 1.00 0.00 H new ATOM 525 N HIS A 375 -8.935 -1.723 1.933 1.00 0.00 N ATOM 526 CA HIS A 375 -9.796 -0.719 1.319 1.00 0.00 C ATOM 527 C HIS A 375 -10.728 -1.357 0.293 1.00 0.00 C ATOM 528 O HIS A 375 -10.563 -2.522 -0.071 1.00 0.00 O ATOM 529 CB HIS A 375 -8.953 0.368 0.652 1.00 0.00 C ATOM 530 CG HIS A 375 -7.861 0.901 1.529 1.00 0.00 C ATOM 531 ND1 HIS A 375 -8.092 1.769 2.575 1.00 0.00 N ATOM 532 CD2 HIS A 375 -6.526 0.682 1.511 1.00 0.00 C ATOM 533 CE1 HIS A 375 -6.946 2.063 3.161 1.00 0.00 C ATOM 534 NE2 HIS A 375 -5.979 1.416 2.535 1.00 0.00 N ATOM 0 H HIS A 375 -8.086 -1.929 1.406 1.00 0.00 H new ATOM 0 HA HIS A 375 -10.402 -0.267 2.104 1.00 0.00 H new ATOM 0 HB2 HIS A 375 -8.512 -0.034 -0.260 1.00 0.00 H new ATOM 0 HB3 HIS A 375 -9.604 1.191 0.355 1.00 0.00 H new ATOM 0 HD1 HIS A 375 -9.005 2.128 2.853 1.00 0.00 H new ATOM 0 HD2 HIS A 375 -5.990 0.048 0.820 1.00 0.00 H new ATOM 0 HE1 HIS A 375 -6.820 2.721 4.008 1.00 0.00 H new ATOM 542 N SER A 376 -11.708 -0.587 -0.169 1.00 0.00 N ATOM 543 CA SER A 376 -12.669 -1.078 -1.149 1.00 0.00 C ATOM 544 C SER A 376 -12.218 -0.743 -2.567 1.00 0.00 C ATOM 545 O SER A 376 -12.990 -0.218 -3.369 1.00 0.00 O ATOM 546 CB SER A 376 -14.051 -0.477 -0.886 1.00 0.00 C ATOM 547 OG SER A 376 -13.988 0.937 -0.820 1.00 0.00 O ATOM 0 H SER A 376 -11.857 0.380 0.120 1.00 0.00 H new ATOM 0 HA SER A 376 -12.728 -2.162 -1.051 1.00 0.00 H new ATOM 0 HB2 SER A 376 -14.738 -0.777 -1.677 1.00 0.00 H new ATOM 0 HB3 SER A 376 -14.450 -0.870 0.049 1.00 0.00 H new ATOM 0 HG SER A 376 -14.884 1.297 -0.652 1.00 0.00 H new ATOM 553 N GLY A 377 -10.961 -1.051 -2.870 1.00 0.00 N ATOM 554 CA GLY A 377 -10.427 -0.776 -4.192 1.00 0.00 C ATOM 555 C GLY A 377 -10.985 -1.709 -5.248 1.00 0.00 C ATOM 556 O GLY A 377 -10.987 -2.927 -5.073 1.00 0.00 O ATOM 0 H GLY A 377 -10.302 -1.486 -2.224 1.00 0.00 H new ATOM 0 HA2 GLY A 377 -10.654 0.254 -4.465 1.00 0.00 H new ATOM 0 HA3 GLY A 377 -9.341 -0.867 -4.168 1.00 0.00 H new ATOM 560 N VAL A 378 -11.461 -1.136 -6.349 1.00 0.00 N ATOM 561 CA VAL A 378 -12.026 -1.924 -7.438 1.00 0.00 C ATOM 562 C VAL A 378 -10.932 -2.436 -8.369 1.00 0.00 C ATOM 563 O VAL A 378 -9.945 -1.747 -8.624 1.00 0.00 O ATOM 564 CB VAL A 378 -13.040 -1.104 -8.257 1.00 0.00 C ATOM 565 CG1 VAL A 378 -14.219 -0.691 -7.388 1.00 0.00 C ATOM 566 CG2 VAL A 378 -12.368 0.114 -8.872 1.00 0.00 C ATOM 0 H VAL A 378 -11.467 -0.129 -6.510 1.00 0.00 H new ATOM 0 HA VAL A 378 -12.539 -2.771 -6.983 1.00 0.00 H new ATOM 0 HB VAL A 378 -13.417 -1.729 -9.066 1.00 0.00 H new ATOM 0 HG11 VAL A 378 -14.925 -0.112 -7.984 1.00 0.00 H new ATOM 0 HG12 VAL A 378 -14.715 -1.581 -7.001 1.00 0.00 H new ATOM 0 HG13 VAL A 378 -13.863 -0.083 -6.556 1.00 0.00 H new ATOM 0 HG21 VAL A 378 -13.100 0.682 -9.447 1.00 0.00 H new ATOM 0 HG22 VAL A 378 -11.961 0.743 -8.081 1.00 0.00 H new ATOM 0 HG23 VAL A 378 -11.561 -0.209 -9.530 1.00 0.00 H new ATOM 576 N LYS A 379 -11.116 -3.650 -8.877 1.00 0.00 N ATOM 577 CA LYS A 379 -10.147 -4.256 -9.782 1.00 0.00 C ATOM 578 C LYS A 379 -10.763 -4.496 -11.157 1.00 0.00 C ATOM 579 O LYS A 379 -11.974 -4.670 -11.299 1.00 0.00 O ATOM 580 CB LYS A 379 -9.634 -5.576 -9.204 1.00 0.00 C ATOM 581 CG LYS A 379 -8.781 -5.404 -7.959 1.00 0.00 C ATOM 582 CD LYS A 379 -7.489 -4.666 -8.265 1.00 0.00 C ATOM 583 CE LYS A 379 -6.533 -4.701 -7.083 1.00 0.00 C ATOM 584 NZ LYS A 379 -5.685 -5.926 -7.091 1.00 0.00 N ATOM 0 H LYS A 379 -11.928 -4.234 -8.677 1.00 0.00 H new ATOM 0 HA LYS A 379 -9.310 -3.566 -9.893 1.00 0.00 H new ATOM 0 HB2 LYS A 379 -10.485 -6.214 -8.966 1.00 0.00 H new ATOM 0 HB3 LYS A 379 -9.051 -6.094 -9.965 1.00 0.00 H new ATOM 0 HG2 LYS A 379 -9.344 -4.855 -7.204 1.00 0.00 H new ATOM 0 HG3 LYS A 379 -8.551 -6.382 -7.537 1.00 0.00 H new ATOM 0 HD2 LYS A 379 -7.010 -5.115 -9.135 1.00 0.00 H new ATOM 0 HD3 LYS A 379 -7.713 -3.631 -8.523 1.00 0.00 H new ATOM 0 HE2 LYS A 379 -5.895 -3.818 -7.106 1.00 0.00 H new ATOM 0 HE3 LYS A 379 -7.102 -4.659 -6.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 379 -5.047 -5.912 -6.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 379 -6.292 -6.769 -7.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 379 -5.123 -5.953 -7.965 1.00 0.00 H new ATOM 598 N PRO A 380 -9.912 -4.508 -12.194 1.00 0.00 N ATOM 599 CA PRO A 380 -10.351 -4.728 -13.575 1.00 0.00 C ATOM 600 C PRO A 380 -10.816 -6.160 -13.814 1.00 0.00 C ATOM 601 O PRO A 380 -10.454 -7.073 -13.071 1.00 0.00 O ATOM 602 CB PRO A 380 -9.095 -4.429 -14.398 1.00 0.00 C ATOM 603 CG PRO A 380 -7.962 -4.686 -13.466 1.00 0.00 C ATOM 604 CD PRO A 380 -8.457 -4.307 -12.098 1.00 0.00 C ATOM 0 HA PRO A 380 -11.206 -4.104 -13.835 1.00 0.00 H new ATOM 0 HB2 PRO A 380 -9.037 -5.069 -15.278 1.00 0.00 H new ATOM 0 HB3 PRO A 380 -9.090 -3.398 -14.753 1.00 0.00 H new ATOM 0 HG2 PRO A 380 -7.662 -5.733 -13.496 1.00 0.00 H new ATOM 0 HG3 PRO A 380 -7.088 -4.096 -13.742 1.00 0.00 H new ATOM 0 HD2 PRO A 380 -8.015 -4.933 -11.323 1.00 0.00 H new ATOM 0 HD3 PRO A 380 -8.209 -3.274 -11.853 1.00 0.00 H new ATOM 612 N SER A 381 -11.619 -6.351 -14.856 1.00 0.00 N ATOM 613 CA SER A 381 -12.136 -7.673 -15.191 1.00 0.00 C ATOM 614 C SER A 381 -12.688 -8.370 -13.952 1.00 0.00 C ATOM 615 O SER A 381 -12.519 -9.576 -13.777 1.00 0.00 O ATOM 616 CB SER A 381 -11.037 -8.528 -15.825 1.00 0.00 C ATOM 617 OG SER A 381 -10.536 -7.923 -17.004 1.00 0.00 O ATOM 0 H SER A 381 -11.926 -5.607 -15.483 1.00 0.00 H new ATOM 0 HA SER A 381 -12.948 -7.548 -15.908 1.00 0.00 H new ATOM 0 HB2 SER A 381 -10.225 -8.669 -15.112 1.00 0.00 H new ATOM 0 HB3 SER A 381 -11.431 -9.517 -16.059 1.00 0.00 H new ATOM 0 HG SER A 381 -9.834 -8.488 -17.389 1.00 0.00 H new ATOM 623 N GLY A 382 -13.350 -7.601 -13.093 1.00 0.00 N ATOM 624 CA GLY A 382 -13.917 -8.160 -11.880 1.00 0.00 C ATOM 625 C GLY A 382 -14.377 -7.092 -10.908 1.00 0.00 C ATOM 626 O GLY A 382 -13.664 -6.723 -9.975 1.00 0.00 O ATOM 0 H GLY A 382 -13.504 -6.600 -13.216 1.00 0.00 H new ATOM 0 HA2 GLY A 382 -14.761 -8.799 -12.139 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -13.175 -8.793 -11.394 1.00 0.00 H new ATOM 630 N PRO A 383 -15.596 -6.575 -11.124 1.00 0.00 N ATOM 631 CA PRO A 383 -16.176 -5.535 -10.270 1.00 0.00 C ATOM 632 C PRO A 383 -16.536 -6.056 -8.883 1.00 0.00 C ATOM 633 O PRO A 383 -16.424 -7.251 -8.611 1.00 0.00 O ATOM 634 CB PRO A 383 -17.439 -5.118 -11.028 1.00 0.00 C ATOM 635 CG PRO A 383 -17.801 -6.310 -11.846 1.00 0.00 C ATOM 636 CD PRO A 383 -16.501 -6.968 -12.217 1.00 0.00 C ATOM 0 HA PRO A 383 -15.477 -4.717 -10.093 1.00 0.00 H new ATOM 0 HB2 PRO A 383 -18.242 -4.850 -10.342 1.00 0.00 H new ATOM 0 HB3 PRO A 383 -17.254 -4.247 -11.657 1.00 0.00 H new ATOM 0 HG2 PRO A 383 -18.437 -6.992 -11.281 1.00 0.00 H new ATOM 0 HG3 PRO A 383 -18.358 -6.018 -12.736 1.00 0.00 H new ATOM 0 HD2 PRO A 383 -16.604 -8.051 -12.284 1.00 0.00 H new ATOM 0 HD3 PRO A 383 -16.137 -6.622 -13.184 1.00 0.00 H new ATOM 644 N SER A 384 -16.968 -5.152 -8.010 1.00 0.00 N ATOM 645 CA SER A 384 -17.341 -5.521 -6.649 1.00 0.00 C ATOM 646 C SER A 384 -18.662 -4.869 -6.252 1.00 0.00 C ATOM 647 O SER A 384 -19.041 -3.830 -6.792 1.00 0.00 O ATOM 648 CB SER A 384 -16.241 -5.110 -5.667 1.00 0.00 C ATOM 649 OG SER A 384 -16.250 -3.710 -5.449 1.00 0.00 O ATOM 0 H SER A 384 -17.068 -4.159 -8.220 1.00 0.00 H new ATOM 0 HA SER A 384 -17.465 -6.603 -6.613 1.00 0.00 H new ATOM 0 HB2 SER A 384 -16.382 -5.630 -4.719 1.00 0.00 H new ATOM 0 HB3 SER A 384 -15.269 -5.415 -6.056 1.00 0.00 H new ATOM 0 HG SER A 384 -15.540 -3.473 -4.817 1.00 0.00 H new ATOM 655 N SER A 385 -19.359 -5.489 -5.304 1.00 0.00 N ATOM 656 CA SER A 385 -20.640 -4.972 -4.837 1.00 0.00 C ATOM 657 C SER A 385 -20.439 -3.763 -3.928 1.00 0.00 C ATOM 658 O SER A 385 -20.978 -2.687 -4.180 1.00 0.00 O ATOM 659 CB SER A 385 -21.411 -6.063 -4.091 1.00 0.00 C ATOM 660 OG SER A 385 -20.603 -6.673 -3.100 1.00 0.00 O ATOM 0 H SER A 385 -19.058 -6.349 -4.845 1.00 0.00 H new ATOM 0 HA SER A 385 -21.217 -4.658 -5.707 1.00 0.00 H new ATOM 0 HB2 SER A 385 -22.298 -5.633 -3.627 1.00 0.00 H new ATOM 0 HB3 SER A 385 -21.756 -6.817 -4.798 1.00 0.00 H new ATOM 0 HG SER A 385 -21.120 -7.365 -2.637 1.00 0.00 H new ATOM 666 N GLY A 386 -19.658 -3.951 -2.868 1.00 0.00 N ATOM 667 CA GLY A 386 -19.400 -2.868 -1.937 1.00 0.00 C ATOM 668 C GLY A 386 -19.406 -3.331 -0.493 1.00 0.00 C ATOM 669 O GLY A 386 -19.481 -4.528 -0.219 1.00 0.00 O ATOM 0 H GLY A 386 -19.200 -4.833 -2.638 1.00 0.00 H new ATOM 0 HA2 GLY A 386 -18.434 -2.418 -2.167 1.00 0.00 H new ATOM 0 HA3 GLY A 386 -20.154 -2.092 -2.070 1.00 0.00 H new TER 673 GLY A 386 HETATM 674 ZN ZN A 200 -4.047 2.063 2.467 1.00 0.00 ZN